sodium; 2-azanylguanidine; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium; 2-azanylguanidine; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium; 2-aminoguanidine; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium; 2-aminoguanidine; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium; 2-aminoguanidine; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium; 2-aminoguanidine; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate Formula: C21H43N4NaO7S MolecularWeight: 518.64349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].C(=NN)(N)N.[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].C(=NN)(N)N.[Na+]

InChI

InChI=1S/C20H38O7S.CH6N4.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;2-1(3)5-4;/h16-18H,5-15H2,1-4H3,(H,23,24,25);4H2,(H4,2,3,5);/q;;+1/p-1